N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylpiperazin-1-yl)propanamide; ethanedioic acid

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylpiperazin-1-yl)propanamide; ethanedioic acid Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylpiperazin-1-yl)propanamide; oxalic acid CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methyl-1-piperazinyl)propanamide; oxalic acid IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylpiperazin-1-yl)propanamide; oxalic acid Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylpiperazino)propionamide; oxalic acid Formula: C20H27N3O11 MolecularWeight: 485.44188

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCC(=O)NC2=CC3=C(C=C2)OCCO3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)CCC(=O)NC2=CC3=C(C=C2)OCCO3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H23N3O3.2C2H2O4/c1-18-6-8-19(9-7-18)5-4-16(20)17-13-2-3-14-15(12-13)22-11-10-21-14;2*3-1(4)2(5)6/h2-3,12H,4-11H2,1H3,(H,17,20);2*(H,3,4)(H,5,6)